3461-0231 Screening compound: propan-2-yl 2-methyl-5-(2,4,6-trimethylbenzenesulfonamido)-1-benzofuran-3-carboxylate

3461-0231 Screening compound: propan-2-yl 2-methyl-5-(2,4,6-trimethylbenzenesulfonamido)-1-benzofuran-3-carboxylate
3461-0231 Screening compound: propan-2-yl 2-methyl-5-(2,4,6-trimethylbenzenesulfonamido)-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3461-0231
propan-2-yl 2-methyl-5-(2,4,6-trimethylbenzenesulfonamido)-1-benzofuran-3-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3461-0231

Molecular Formula

C22H25NO5S (C22 H25 NO5 S)

Compound Name

propan-2-yl 2-methyl-5-(2,4,6-trimethylbenzenesulfonamido)-1-benzofuran-3-carboxylate

IUPAC name

propan-2-yl 2-methyl-5-(246-trimethylbenzenesulfonamido)-1-benzofuran-3-carboxylate

SMILES

CC(C)OC(c1c(C)oc(cc2)c1cc2NS(c1c(C)cc(C)cc1C)(=O)=O)=O

InChI

InChI=1S/C22H25NO5S/c1-12(2)27-22(24)20-16(6)28-19-8-7-17(11-18(19)20)23-29(25,26)21-14(4)9-13(3)10-15(21)5/h7-12,23H,1-6H3

InChI Key

FWHXNNKTIUKOCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03192852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.801

Distribution Coefficient, logD

5.218

Water Solubility, LogSw

-5.59

Polar Surface Area

69.268

Acid Dissociation Constant (pKa)

6.95

Base Dissociation Constant (pKb)

-11.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

3461-0231 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Cancer
  • Cancer
  • Endocrine
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with 3461-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3461-0231?
Check Price and Availability of 3461-0231, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3461-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3461-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3461-0231
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3461-0231 available by request